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6-(2-Chloranylethanoyl)-7-oxidanyl-3,4-dihydrochromen-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6-(2-Chloranylethanoyl)-7-oxidanyl-3,4-dihydrochromen-2-one
SpectraBase Compound ID 1T7ZgaSDbWe
InChI InChI=1S/C11H9ClO4/c12-5-9(14)7-3-6-1-2-11(15)16-10(6)4-8(7)13/h3-4,13H,1-2,5H2
InChIKey GBWRYDLULMJEHW-UHFFFAOYSA-N
Mol Weight 240.64 g/mol
Molecular Formula C11H9ClO4
Exact Mass 240.018936 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Af46rCmoRsA
Name 6-(2-Chloranylethanoyl)-7-oxidanyl-3,4-dihydrochromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.018936466 u
Formula C11H9ClO4
InChI InChI=1S/C11H9ClO4/c12-5-9(14)7-3-6-1-2-11(15)16-10(6)4-8(7)13/h3-4,13H,1-2,5H2
InChIKey GBWRYDLULMJEHW-UHFFFAOYSA-N
Molecular Weight 240.642 g/mol
SMILES C1(OC=2C=C(C(=CC2CC1)C(=O)CCl)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94287